HRID1568091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8471

Triethylamine

C6H15N

结构：COc1ccc(Cn2nnc(-c3c(O)nc4cc(CCc5nc(C(C)C)cs5)ccn4c3=O)n2)cc1

HCID135724437

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nnc(-c3c(OC)nc4cc(CCc5nc(C(C)C)cs5)ccn4c3=O)n2)cc1

HCID22063653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b116a211fcb14907a697f1a5e27c22ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][O:45][S:46]([O:47][CH3:48])(=[O:49])=[O:50].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[OH2:51].[OH:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:22])[c:7]1-[c:8]1[n:9][n:10][n:11]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[n:12]1)[cH:23][cH:24][c:25]([CH2:27][CH2:28][c:29]1[s:30][cH:31][c:32]([CH:34]([CH3:35])[CH3:36])[n:33]1)[cH:26]2>>[O:1]([c:2]1[n:3][c:4]2[n:5]([c:6](=[O:22])[c:7]1-[c:8]1[n:9][n:10][n:11]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[n:12]1)[cH:23][cH:24][c:25]([CH2:27][CH2:28][c:29]1[s:30][cH:31][c:32]([CH:34]([CH3:35])[CH3:36])[n:33]1)[cH:26]2)[CH3:37]